N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide

C22H24F2N4O2S2 — CID 146430509

IUPACN-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)n2)sc1NCc1c(F)cccc1CN1CCCC1
InChIInChI=1S/C22H24F2N4O2S2/c1-15-12-21(32(29,30)27-20-9-5-8-19(24)26-20)31-22(15)25-13-17-16(6-4-7-18(17)23)14-28-10-2-3-11-28/h4-9,12,25H,2-3,10-11,13-14H2,1H3,(H,26,27)
InChIKeyCNXFHKQBWRBDAN-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.74
Rot. Bonds8

About N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide

N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide (PubChem CID 146430509) has the molecular formula C22H24F2N4O2S2 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide
PubChem CID146430509
Molecular FormulaC22H24F2N4O2S2
Molecular Weight478.59 g/mol
Exact Mass478.13
IUPAC NameN-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)n2)sc1NCc1c(F)cccc1CN1CCCC1
InChIInChI=1S/C22H24F2N4O2S2/c1-15-12-21(32(29,30)27-20-9-5-8-19(24)26-20)31-22(15)25-13-17-16(6-4-7-18(17)23)14-28-10-2-3-11-28/h4-9,12,25H,2-3,10-11,13-14H2,1H3,(H,26,27)
InChIKeyCNXFHKQBWRBDAN-UHFFFAOYSA-N
XLogP4.74
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(6-fluoro-2-pyridinyl)-6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-sulfonamide;2,2,2-trifluoroacetic acid
CID 146565778
N-[[2-(azetidin-1-ylmethyl)-6-fluorophenyl]methyl]-3,5-difluoro-4-[(6-fluoro-2-pyridinyl)methylsulfonyl]aniline
CID 158531053
4-[[2-(azetidin-1-ylmethyl)-6-fluorophenyl]methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585890
4-[[2-(azetidin-1-ylmethyl)-3-fluorophenyl]methylamino]-2,6-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585958
2,6-difluoro-4-[[2-fluoro-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585192
2,6-difluoro-4-[[2-fluoro-6-[(3-fluoroazetidin-1-yl)methyl]phenyl]methylamino]-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134585332
5-fluoro-N-(6-fluoro-2-pyridinyl)-2-oxo-3-[(1R)-1-[2-(piperidin-1-ylmethyl)phenyl]ethyl]-1,3-benzoxazole-6-sulfonamide
CID 74222398
4-[[2-(azetidin-1-ylmethyl)-6-fluorophenyl]methylamino]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)-N-[(2-methoxy-4-methylphenyl)methyl]benzenesulfonamide
CID 134598808
N-[[6-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-2-methyl-3-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
CID 146430550
4-[[2-(azetidin-1-ylmethyl)-6-fluorophenyl]methylamino]-N-[(2,4-dimethoxyphenyl)methyl]-2,6-difluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 134586533
2-fluoro-N-(6-fluoro-2-pyridinyl)-5-methyl-4-(methylamino)benzenesulfonamide
CID 155278636
N-(6-fluoro-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
CID 104821551

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide (CID 146430509) is N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)n2)sc1NCc1c(F)cccc1CN1CCCC1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide?
The InChIKey is CNXFHKQBWRBDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2S2/c1-15-12-21(32(29,30)27-20-9-5-8-19(24)26-20)31-22(15)25-13-17-16(6-4-7-18(17)23)14-28-10-2-3-11-28/h4-9,12,25H,2-3,10-11,13-14H2,1H3,(H,26,27).
What are the key properties of N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide?
N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide has a molecular weight of 478.59 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-5-[[2-fluoro-6-(pyrrolidin-1-ylmethyl)phenyl]methylamino]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 146430509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).